4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile

C14H9ClF2N2 — CID 107933302

IUPAC4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(NCc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C14H9ClF2N2/c15-11-4-1-9(2-5-11)8-19-12-6-3-10(7-18)13(16)14(12)17/h1-6,19H,8H2
InChIKeyYNUYQMAELSAOEJ-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.10
Rot. Bonds3

About 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile

4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile (PubChem CID 107933302) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
PubChem CID107933302
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(NCc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C14H9ClF2N2/c15-11-4-1-9(2-5-11)8-19-12-6-3-10(7-18)13(16)14(12)17/h1-6,19H,8H2
InChIKeyYNUYQMAELSAOEJ-UHFFFAOYSA-N
XLogP4.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107933778
2,3-difluoro-4-(prop-2-ynylamino)benzonitrile
CID 107933287
2,3,4-trifluoro-N-[(4-nitrophenyl)methyl]aniline
CID 28574355
4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
CID 107934150
2-(benzylamino)-4-chlorobenzonitrile
CID 43681577
4-[2-(5-chlorothiophen-2-yl)ethylamino]-2,3-difluorobenzonitrile
CID 106034926
N-[(3,4-dichlorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28546142
2,3-difluoro-4-(2-phenylethylamino)benzonitrile
CID 107933230
4-[(4-chlorophenyl)methylamino]-3,5-difluorobenzonitrile
CID 78981100
2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
CID 82012960
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
5-chloro-2-[[4-(dimethylamino)phenyl]methylamino]benzonitrile
CID 133302013

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile (CID 107933302) is 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile is N#Cc1ccc(NCc2ccc(Cl)cc2)c(F)c1F.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile?
The InChIKey is YNUYQMAELSAOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c15-11-4-1-9(2-5-11)8-19-12-6-3-10(7-18)13(16)14(12)17/h1-6,19H,8H2.
What are the key properties of 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile?
4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile has a molecular weight of 278.69 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).